trans-Cyclopentane-1,2-diol

HCID 95497

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Basic information

CAS: 4065-92-3
Standard SMILES: OC1CCCC1O
InChIKey: VCVOSERVUCJNPR-UHFFFAOYSA-N
Molecular formula: C5H10O2
Average molar mass: 102.13 g/mol
Monoisotopic mass: 102.06807956

Names & identifiers

Preferred name: trans-Cyclopentane-1,2-diol
IUPAC: cyclopentane-1,2-diol
English name: 1,2-Cyclopentanediol
Molecular formula: C5H10O2
Molecular weight: 102.13

Names & synonyms

EINECS 225-757-6NSC 15389AI3-26281trans1,2CyclopentanediolRefChem:898891225-757-6trans-Cyclopentane-1,2-diol1,2-CyclopentanediolCyclopentane-1,2-diol4065-92-3MFCD00797992(+/-)-trans-1,2-Cyclopentanediol

Show more names

1,2-Cyclopentandiol

(1R,2R)-1,2-Cyclopentanediol1,2-Cyclopentanediol #12-Cyclopentanediolv1,2-Cyclopentanediol( inverted exclamation markA)-trans-1,2-CyclopentanediolSCHEMBL627381,2-Cyclopentanediol, cis-SCHEMBL544082

Database identifiers

CAS: 4065-92-3、5057-98-7、5057-99-8
PubChem CID: 95497
DTXSID: DTXSID00275933
EC Number: 225-757-6
Nikkaji: J80.740K

Properties

Computed structural properties

XLogP: -0.1
Topological polar surface area: 40.5 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 7
Formal charge: 0
Complexity: 55.1

Experimental & physicochemical properties

PolymersOther Classes -> Alcohols and Polyols, Other

Physical DescriptionMelting point = 54-56 deg C; [Aldrich MSDS]

Physicochemical properties

Melting point: 159 · 159-160 °C
Boiling point: 216.4 · 216.4±0.0 °C(Predicted)
Density: 1.235 · 1.235±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
pka: 14.48 · 14.48±0.40(Predicted)
Symbol(GHS): 2 · GHS02
Signal word: Danger
Hazard statements: 225 · H225
Precautionary statements: 210 · P210-P273-P243-P403

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.